Activity coefficient models for accurate prediction of adsorption azeotropes

نویسندگان

چکیده

Abstract In this study seven adsorption azeotropes involving binary systems and zeolite-based adsorbents were systematically investigated. Pure component isotherms mixed-gas data taken from published literature except for the benzene–propene system on silicalite, which is newly presented in work using molecular simulations. Experimental adsorbed phase composition total amount of azeotropic compared with predictions several models including: ideal solution theory (IAST), heterogeneous (HIAST) real (RAST) coupled 1-parameter Margules (1-Margules) van Laar equations. latter two an additional loading parameter was incorporated expression excess Gibbs energy to account reduced grand potential dependency activity coefficients phase. It found that HIAST RAST–1-Margules able predict behaviour some good accuracy. However, only RAST–van model consistently showed average relative deviation below 3% experimental both across systems. This modified equation therefore preferable those engineering applications when location required great accuracy there lack detailed characterization adsorbent needed carry out

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ژورنال

عنوان ژورنال: Adsorption-journal of The International Adsorption Society

سال: 2021

ISSN: ['1572-8757', '0929-5607']

DOI: https://doi.org/10.1007/s10450-021-00324-w